SCHEMBL4722324

SCHEMBL4722324

Cc1cc(C=O)cc(-c2nn(-c3cc(Br)ccc3C(F)(F)F)c(=O)c3ncccc23)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
TACR1 P25103 6/20 0.32
AKR1B1 P15121 1/20 0.32
TRPV1 Q8NER1 2/20 0.30
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4723668 0.85 TACR1 (0.36) TACR1AKR1B1LMNA
SCHEMBL4719909 0.72 TRPV1 (0.35) L3MBTL1TACR1TRPV1LMNA
SCHEMBL4719110 0.70 TRPV1 (0.34) TRPV1LMNA
SCHEMBL4723705 0.70 TRPV1 (0.30) TRPV1
SCHEMBL4723153 0.69 NTRK1 (0.33) LMNA
SCHEMBL4720084 0.69 NAMPT (0.33) TACR1TRPV1LMNA
SCHEMBL4721659 0.69 RIOK2 (0.35)
SCHEMBL4722896 0.68 TRPV1 (0.32) TRPV1
SCHEMBL4720512 0.67 SLC40A1 (0.35) TACR1TRPV1
SCHEMBL4720511 0.67 SLC40A1 (0.35) TACR1TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed